C0E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OA3 | CA2 | sing | 1.36Å | 1.33Å | |
| CA2 | CA3 | doub | 1.36Å | 1.34Å | |
| CA2 | CA1 | sing | 1.47Å | 1.46Å | |
| OA1 | CA1 | doub | 1.22Å | 1.25Å | |
| FA3 | CA3 | sing | 1.35Å | 1.35Å | |
| CA3 | CA4 | sing | 1.42Å | 1.48Å | |
| CA1 | OA2 | sing | 1.35Å | 1.25Å | |
| CA4 | CA5 | doub | 1.36Å | 1.34Å | |
| CA5 | CA6 | sing | 1.46Å | 1.47Å | |
| OA4 | CA6 | doub | 1.22Å | 1.21Å | |
| CA6 | CB1 | sing | 1.48Å | 1.50Å | |
| CB1 | CB6 | doub | 1.40Å | 1.39Å | Aromatic |
| CB1 | CB2 | sing | 1.40Å | 1.39Å | Aromatic |
| CB6 | CB5 | sing | 1.38Å | 1.39Å | Aromatic |
| CB2 | CB3 | doub | 1.38Å | 1.39Å | Aromatic |
| CB5 | CB4 | doub | 1.39Å | 1.39Å | Aromatic |
| CB3 | CB4 | sing | 1.39Å | 1.39Å | Aromatic |
| CB4 | FB4 | sing | 1.35Å | 1.35Å | |
| OA2 | HOA2 | sing | 0.97Å | 0.95Å | |
| OA3 | HOA3 | sing | 0.97Å | 0.95Å | |
| CA4 | HA4 | sing | 1.08Å | 1.08Å | |
| CA5 | HA5 | sing | 1.08Å | 1.08Å | |
| CB6 | HB6 | sing | 1.08Å | 1.08Å | |
| CB2 | HB2 | sing | 1.08Å | 1.08Å | |
| CB3 | HB3 | sing | 1.08Å | 1.08Å | |
| CB5 | HB5 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OA3 | CA2 | CA3 | 118.8° | 120.0° |
| OA3 | CA2 | CA1 | 118.3° | 120.0° |
| CA2 | OA3 | HOA3 | 109.5° | 114.0° |
| CA3 | CA2 | CA1 | 122.9° | 120.0° |
| CA2 | CA3 | FA3 | 118.7° | 120.0° |
| CA2 | CA3 | CA4 | 122.9° | 120.0° |
| CA2 | CA1 | OA1 | 117.8° | 120.0° |
| CA2 | CA1 | OA2 | 120.7° | 120.1° |
| OA1 | CA1 | OA2 | 121.5° | 120.0° |
| FA3 | CA3 | CA4 | 118.4° | 120.0° |
| CA3 | CA4 | CA5 | 120.7° | 120.0° |
| CA3 | CA4 | HA4 | 119.6° | 119.9° |
| CA1 | OA2 | HOA2 | 109.5° | 117.1° |
| CA4 | CA5 | CA6 | 119.4° | 120.0° |
| CA5 | CA4 | HA4 | 119.6° | 120.1° |
| CA4 | CA5 | HA5 | 120.3° | 120.0° |
| CA5 | CA6 | OA4 | 119.5° | 120.0° |
| CA5 | CA6 | CB1 | 121.7° | 120.0° |
| CA6 | CA5 | HA5 | 120.3° | 120.0° |
| OA4 | CA6 | CB1 | 118.8° | 120.0° |
| CA6 | CB1 | CB6 | 118.1° | 120.2° |
| CA6 | CB1 | CB2 | 120.8° | 120.1° |
| CB6 | CB1 | CB2 | 120.6° | 119.7° |
| CB1 | CB6 | CB5 | 120.6° | 119.9° |
| CB1 | CB6 | HB6 | 119.7° | 120.0° |
| CB1 | CB2 | CB3 | 118.8° | 119.8° |
| CB1 | CB2 | HB2 | 120.6° | 120.1° |
| CB6 | CB5 | CB4 | 118.8° | 120.1° |
| CB5 | CB6 | HB6 | 119.7° | 120.1° |
| CB6 | CB5 | HB5 | 120.6° | 119.9° |
| CB2 | CB3 | CB4 | 120.5° | 120.2° |
| CB3 | CB2 | HB2 | 120.6° | 120.1° |
| CB2 | CB3 | HB3 | 119.7° | 119.9° |
| CB5 | CB4 | CB3 | 120.6° | 120.2° |
| CB5 | CB4 | FB4 | 120.2° | 119.9° |
| CB4 | CB5 | HB5 | 120.6° | 119.9° |
| CB3 | CB4 | FB4 | 119.2° | 119.9° |
| CB4 | CB3 | HB3 | 119.8° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OA3 | CA2 | CA3 | CA1 | 179.4° | 179.9° |
| OA3 | CA2 | CA1 | OA1 | 38.1° | 173.3° |
| OA3 | CA2 | CA3 | FA3 | 26.0° | 8.4° |
| OA3 | CA2 | CA3 | CA4 | 153.8° | 171.6° |
| OA3 | CA2 | CA1 | OA2 | 141.1° | 6.7° |
| CA3 | CA2 | CA1 | OA1 | 142.5° | 6.7° |
| CA2 | CA3 | FA3 | CA4 | 179.8° | 180.0° |
| CA3 | CA2 | CA1 | OA2 | 38.3° | 173.4° |
| CA2 | CA3 | CA4 | CA5 | 174.6° | 174.4° |
| CA3 | CA2 | OA3 | HOA3 | 132.0° | 180.0° |
| CA2 | CA3 | CA4 | HA4 | 5.3° | 5.6° |
| CA2 | CA1 | OA1 | OA2 | 179.2° | 180.0° |
| CA1 | CA2 | CA3 | FA3 | 153.4° | 171.6° |
| CA1 | CA2 | CA3 | CA4 | 26.8° | 8.4° |
| CA2 | CA1 | OA2 | HOA2 | 179.2° | 180.0° |
| CA1 | CA2 | OA3 | HOA3 | 48.6° | 0.1° |
| OA1 | CA1 | OA2 | HOA2 | 0.0° | 0.0° |
| FA3 | CA3 | CA4 | CA5 | 5.1° | 5.6° |
| FA3 | CA3 | CA4 | HA4 | 174.9° | 174.4° |
| CA3 | CA4 | CA5 | HA4 | 180.0° | 180.0° |
| CA3 | CA4 | CA5 | CA6 | 148.9° | 180.0° |
| CA3 | CA4 | CA5 | HA5 | 31.1° | 0.1° |
| CA4 | CA5 | CA6 | HA5 | 180.0° | 179.9° |
| CA4 | CA5 | CA6 | OA4 | 4.5° | 0.1° |
| CA4 | CA5 | CA6 | CB1 | 174.1° | 180.0° |
| CA5 | CA6 | OA4 | CB1 | 178.6° | 179.9° |
| CA5 | CA6 | CB1 | CB6 | 166.9° | 180.0° |
| CA5 | CA6 | CB1 | CB2 | 21.3° | 0.2° |
| CA6 | CA5 | CA4 | HA4 | 31.1° | 0.1° |
| OA4 | CA6 | CB1 | CB6 | 14.6° | 0.1° |
| OA4 | CA6 | CB1 | CB2 | 157.3° | 179.7° |
| OA4 | CA6 | CA5 | HA5 | 175.5° | 180.0° |
| CA6 | CB1 | CB6 | CB2 | 171.8° | 179.8° |
| CA6 | CB1 | CB6 | CB5 | 172.5° | 180.0° |
| CA6 | CB1 | CB2 | CB3 | 172.5° | 180.0° |
| CB1 | CA6 | CA5 | HA5 | 5.9° | 0.1° |
| CA6 | CB1 | CB6 | HB6 | 7.5° | 0.0° |
| CA6 | CB1 | CB2 | HB2 | 7.5° | 0.1° |
| CB1 | CB6 | CB5 | HB6 | 180.0° | 179.9° |
| CB6 | CB1 | CB2 | CB3 | 0.9° | 0.2° |
| CB1 | CB6 | CB5 | CB4 | 0.4° | 0.0° |
| CB6 | CB1 | CB2 | HB2 | 179.1° | 179.7° |
| CB1 | CB6 | CB5 | HB5 | 179.6° | 180.0° |
| CB2 | CB1 | CB6 | CB5 | 0.6° | 0.2° |
| CB1 | CB2 | CB3 | HB2 | 180.0° | 180.0° |
| CB1 | CB2 | CB3 | CB4 | 0.9° | 0.0° |
| CB2 | CB1 | CB6 | HB6 | 179.3° | 179.8° |
| CB1 | CB2 | CB3 | HB3 | 179.1° | 180.0° |
| CB6 | CB5 | CB4 | HB5 | 180.0° | 180.0° |
| CB6 | CB5 | CB4 | CB3 | 0.4° | 0.3° |
| CB6 | CB5 | CB4 | FB4 | 179.9° | 180.0° |
| CB2 | CB3 | CB4 | CB5 | 0.7° | 0.3° |
| CB2 | CB3 | CB4 | HB3 | 180.0° | 179.9° |
| CB2 | CB3 | CB4 | FB4 | 179.6° | 180.0° |
| CB5 | CB4 | CB3 | FB4 | 179.7° | 179.7° |
| CB4 | CB5 | CB6 | HB6 | 179.6° | 179.9° |
| CB5 | CB4 | CB3 | HB3 | 179.3° | 179.7° |
| CB4 | CB3 | CB2 | HB2 | 179.1° | 180.0° |
| CB3 | CB4 | CB5 | HB5 | 179.6° | 179.7° |
| FB4 | CB4 | CB3 | HB3 | 0.4° | 0.0° |
| FB4 | CB4 | CB5 | HB5 | 0.1° | 0.0° |
| HA4 | CA4 | CA5 | HA5 | 148.9° | 179.9° |
| HB6 | CB6 | CB5 | HB5 | 0.4° | 0.0° |
| HB2 | CB2 | CB3 | HB3 | 0.9° | 0.0° |
